Inorganic Retrosynthesis Planning on Inorganic synthesis recipes (Random split)
79.81Top-1 AccuracyRetrieval-Retro
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| Retrieval-RetroInt. (Interactions among constituent elements)=true, Retr. (Retrieval of reference materials)=true2024.10 | 79.81 | 83.62 | 84.46 | 85.7 | 74.61 | 75.49 | |
| Graph Network + MPCInt. (Interactions among constituent elements)=true, Retr. (Retrieval of reference materials)=true2024.10 | 79.09 | 82.95 | 83.82 | 84.97 | 73.86 | 74.81 | |
| CrabNetInt. (Interactions among constituent elements)=false, Retr. (Retrieval of reference materials)=true2024.10 | 78.69 | 81.62 | 82.27 | 83.35 | 73.27 | 74.28 | |
| RoostInt. (Interactions among constituent elements)=true, Retr. (Retrieval of reference materials)=false2024.10 | 78.42 | 82.32 | 83.07 | 84.1 | 73.38 | 74.46 | |
| Graph NetworkInt. (Interactions among constituent elements)=true, Retr. (Retrieval of reference materials)=false2024.10 | 77.91 | 81.55 | 82.37 | 83.5 | 72.96 | 73.88 | |
| ElemwiseRetroInt. (Interactions among constituent elements)=true, Retr. (Retrieval of reference materials)=false2024.10 | 77.23 | 80.93 | 81.57 | 82.78 | 72.33 | 73.26 | |
| He et al.Int. (Interactions among constituent elements)=false, Retr. (Retrieval of reference materials)=true2024.10 | 61.94 | 66.44 | 67.46 | 68.84 | 58.55 | 59.35 | |
| Composition MLPInt. (Interactions among constituent elements)=false, Retr. (Retrieval of reference materials)=false2024.10 | 58.56 | 62.2 | 62.95 | 64.32 | 54.56 | 55.35 |